3-fluoro-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
Chemical Structure Depiction of
3-fluoro-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
3-fluoro-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | SB33-0913 |
| Compound Name: | 3-fluoro-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]pyridine-4-carboxamide |
| Molecular Weight: | 366.4 |
| Molecular Formula: | C19 H19 F N6 O |
| Smiles: | CN1C[C@H]([C@@H](C1)c1nc(c2ccccc2)n[nH]1)NC(c1ccncc1F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9128 |
| logD: | 0.6307 |
| logSw: | -2.5174 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.508 |
| InChI Key: | HALKQXROZDTSRN-HOCLYGCPSA-N |